4-[[5-azanyl-1-(2-methoxy-2-oxidanylidene-ethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-azanyl-1-(2-methoxy-2-oxidanylidene-ethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-amino-1-(2-methoxy-2-oxo-ethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-amino-1-(2-methoxy-2-oxoethyl)-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-amino-1-(2-methoxy-2-oxoethyl)indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-amino-1-(2-keto-2-methoxy-ethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)N)CC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)N)CC(=O)OC

InChI

InChI=1S/C20H20N2O5/c1-26-18-8-13(20(24)25)4-3-12(18)7-14-10-22(11-19(23)27-2)17-6-5-15(21)9-16(14)17/h3-6,8-10H,7,11,21H2,1-2H3,(H,24,25)